UCSF

ZINC33723337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 10.97 -69.36 1 7 0 87 426.513 11
Lo Low (pH 4.5-6) 3.10 9.67 -49.2 2 7 1 84 427.521 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )